Basic information
- CAS
17720-52-4- Standard SMILES
Nc1ncnc2nc(-c3ccc(NC(=O)c4cccc(S(=O)(=O)F)c4)cc3)[nH]c12- InChIKey
HHCHEBLIWYYOBE-UHFFFAOYSA-N- Molecular formula
- C18H13FN6O3S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.07538763
Names & identifiers
- Preferred name
- 3-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 3-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
17720-52-43-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluorideNSC2103423-[[4-(6-amino-7H-purin-8-yl)phenyl]carbamoyl]benzenesulfonyl fluorideDTXSID70308888NSC-210342Benzenesulfonylfluoride, 3-[[[4-(6-amino-9H-purin-8-yl)phenyl]amino]carbonyl]-DS-0103323-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonylfluoride3-{[4-(6-Amino-7H-purin-8-yl)phenyl]carbamoyl}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
17720-52-4- PubChem CID
- 308527
- DTXSID
DTXSID70308888
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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